Compound Detail
CHEMBL81095
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Basic Information
| ChEMBL ID | CHEMBL81095 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUJSCJDKCCXQSU-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
2.93
ALogP
5
HBA
1
HBD
54.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.9
Ki 1 meas. best 8.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.98 | 8.98 | 1.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | EC50 | 7.9 | 7.7 | 12.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 1.047 | nM | 8.98 | Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat fr... | 9873561 |
| 5-hydroxytryptamine receptor 1A | EC50 | = | 12.59 | nM | 7.9 | Potency against human 5-hydroxytryptamine 1A receptor expressed in CHO cells (ex... | 9873561 |
| 5-hydroxytryptamine receptor 1A | EC50 | = | 31.62 | nM | 7.5 | Compound was tested for its potency against human 5-hydroxytryptamine 1A recepto... | 9873561 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873561 | 10.1016/s0960-894x(98)00406-5 | 5-hydroxytryptamine receptor 1A | 7 |
Data from ChEMBL 36 via Core Engine